N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide

C21H20FN3O3 — CID 1256526

IUPACN-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C21H20FN3O3/c1-3-10-24-18(13-19(26)23-16-8-5-7-15(22)12-16)20(27)25(21(24)28)17-9-4-6-14(2)11-17/h3-9,11-12,18H,1,10,13H2,2H3,(H,23,26)/t18-/m0/s1
InChIKeyAJBJGXSWRIZXGJ-SFHVURJKSA-N
MW381.41 g/mol
LogP3.49
Rot. Bonds6

About N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide

N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (PubChem CID 1256526) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
PubChem CID1256526
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C21H20FN3O3/c1-3-10-24-18(13-19(26)23-16-8-5-7-15(22)12-16)20(27)25(21(24)28)17-9-4-6-14(2)11-17/h3-9,11-12,18H,1,10,13H2,2H3,(H,23,26)/t18-/m0/s1
InChIKeyAJBJGXSWRIZXGJ-SFHVURJKSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 28874003
N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284915
ethyl 3-[[2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002049
2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 40520439
2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 1256745
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 4874620
N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 92742879
2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 45106613
N-(3-fluorophenyl)-2-[(4R)-3-(2-methoxyethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 7340940
ethyl 3-[[2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284888
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284859
2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40520463

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (CID 1256526) is N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The InChIKey is AJBJGXSWRIZXGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-3-10-24-18(13-19(26)23-16-8-5-7-15(22)12-16)20(27)25(21(24)28)17-9-4-6-14(2)11-17/h3-9,11-12,18H,1,10,13H2,2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 1256526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).